CID 10931962

4-methoxy-3-indolylmethylamine

Structural Information

Molecular Formula
C10H12N2O
SMILES
COC1=CC=CC2=C1C(=CN2)CN
InChI
InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3
InChIKey
YKDYCKHEKOEVJM-UHFFFAOYSA-N
Compound name
(4-methoxy-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

176.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 135.2
[M+Na]+ 199.08418 145.2
[M-H]- 175.08768 137.5
[M+NH4]+ 194.12878 156.3
[M+K]+ 215.05812 141.3
[M+H-H2O]+ 159.09222 129.1
[M+HCOO]- 221.09316 159.4
[M+CH3COO]- 235.10881 180.0
[M+Na-2H]- 197.06963 142.1
[M]+ 176.09441 135.7
[M]- 176.09551 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.